#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cub s SER 2 N 0.00 1.62 -0.30 1.61 0.15 -1.26 -5.16 113.70 110.37 2cub s SER 2 Ca 0.00 -1.32 -0.16 0.00 0.70 0.00 0.00 55.95 55.16 2cub s SER 2 Cb 0.00 0.06 0.17 0.00 -1.71 0.00 0.00 66.02 64.55 2cub s SER 2 CO 0.00 -0.63 1.08 -0.55 1.20 0.00 0.00 173.24 174.34 2cub s SER 3 N -3.34 -0.37 0.16 5.45 0.15 -1.26 -5.16 113.70 109.33 2cub s SER 3 Ca 0.34 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.55 2cub s SER 3 Cb 0.07 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 2cub s SER 3 CO 0.12 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2cub n GLY 4 N 3.98 -2.07 3.32 9.45 0.00 -1.26 -4.87 105.19 113.74 2cub n GLY 4 Ca -0.14 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 2cub n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cub s SER 5 N -3.96 3.74 -0.19 1.61 0.15 -1.26 -5.10 113.70 108.68 2cub s SER 5 Ca 0.00 -0.40 -0.24 0.00 0.70 0.00 0.00 55.95 56.01 2cub s SER 5 Cb 0.00 -1.55 -0.02 0.00 -1.71 0.00 0.00 66.02 62.74 2cub s SER 5 CO 0.00 0.15 0.77 -0.44 1.20 0.00 0.00 173.24 174.92 2cub s SER 6 N 0.41 6.85 -0.19 5.45 0.01 -1.26 -4.96 113.70 120.02 2cub s SER 6 Ca -0.12 1.05 -0.20 0.00 1.31 0.00 0.00 55.95 57.99 2cub s SER 6 Cb -0.16 -2.42 -0.17 0.00 0.21 0.00 0.00 66.02 63.48 2cub s SER 6 CO 0.06 -0.38 0.19 1.23 0.41 0.00 0.00 173.24 174.75 2cub h GLY 7 N 8.41 0.00 -2.95 3.44 0.00 -1.99 -3.48 103.07 106.51 2cub h GLY 7 Ca -0.29 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.46 2cub h GLY 7 CO 0.82 0.00 -0.09 1.22 0.00 0.00 0.00 176.54 178.49 2cub n ASP 8 N -4.49 0.03 0.00 0.19 9.92 -1.26 -4.83 116.55 116.11 2cub n ASP 8 Ca -0.25 0.80 0.07 0.00 -0.53 0.00 0.00 54.79 54.88 2cub n ASP 8 Cb 0.58 -1.29 0.41 0.00 -0.64 0.00 0.00 41.12 40.18 2cub n ASP 8 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2cub n PRO 9 N -0.51 0.32 0.00 -0.24 -0.04 -1.26 -4.83 135.00 128.44 2cub n PRO 9 Ca 0.13 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2cub n PRO 9 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2cub n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cub n GLY 10 N -0.03 3.21 3.56 0.55 0.00 -1.26 -5.19 105.19 106.03 2cub n GLY 10 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 2cub n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cub s GLU 11 N 4.28 0.53 -0.25 1.61 1.03 -1.26 -4.99 118.70 119.64 2cub s GLU 11 Ca 0.00 -0.19 -0.26 0.00 0.03 0.00 0.00 54.97 54.55 2cub s GLU 11 Cb 0.00 0.24 0.10 0.00 -0.80 0.00 0.00 34.13 33.67 2cub s GLU 11 CO 0.00 -0.23 0.86 0.50 -1.33 0.00 0.00 175.26 175.06 2cub s ARG 12 N -2.72 0.70 -0.36 -4.83 3.00 -1.26 -5.04 118.95 108.45 2cub s ARG 12 Ca 0.07 0.71 -0.14 0.00 -1.00 0.00 0.00 55.73 55.38 2cub s ARG 12 Cb -0.01 0.34 -0.01 0.00 0.00 0.00 0.00 34.95 35.28 2cub s ARG 12 CO -0.07 -0.11 0.29 -0.51 0.00 0.00 0.00 175.30 174.90 2cub s LEU 13 N 0.08 4.67 0.30 -0.88 2.01 -1.26 -5.06 118.68 118.53 2cub s LEU 13 Ca 0.00 -0.52 0.03 0.00 0.01 0.00 0.00 54.13 53.65 2cub s LEU 13 Cb -0.04 -2.19 -0.04 0.00 0.01 0.00 0.00 46.19 43.93 2cub s LEU 13 CO -0.01 -0.32 0.13 -0.72 1.01 0.00 0.00 176.35 176.44 2cub s TYR 14 N 1.78 1.60 -1.42 0.29 1.13 -1.26 -1.96 117.35 117.51 2cub s TYR 14 Ca 0.07 -1.29 -0.15 0.00 -1.41 0.00 0.00 57.07 54.29 2cub s TYR 14 Cb -0.18 -0.90 0.13 0.00 -1.10 0.00 0.00 41.96 39.92 2cub s TYR 14 CO 0.11 -0.43 0.56 -3.47 -2.51 0.00 0.00 175.55 169.81 2cub n ASP 15 N -0.79 -2.87 -0.01 -0.18 -0.08 0.28 -4.84 116.55 108.07 2cub n ASP 15 Ca 0.00 -0.70 -0.13 0.00 -1.51 0.00 0.00 54.79 52.46 2cub n ASP 15 Cb 0.65 -2.41 -0.10 0.00 2.34 0.00 0.00 41.12 41.61 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2cub h LEU 16 N -1.02 -0.03 0.63 -2.67 4.07 -1.65 -3.48 115.31 111.16 2cub h LEU 16 Ca -0.47 -0.52 -0.17 0.00 0.08 0.00 0.00 57.88 56.79 2cub h LEU 16 Cb 1.31 0.01 0.01 0.00 1.08 0.00 0.00 40.66 43.07 2cub h LEU 16 CO 0.64 0.52 -0.24 -3.20 -1.08 0.00 0.00 178.44 175.08 2cub n ASN 17 N -4.84 -3.27 -4.62 -0.43 5.15 0.43 -5.00 115.26 102.68 2cub n ASN 17 Ca -0.09 -0.07 -0.40 0.00 -0.60 0.00 0.00 54.58 53.42 2cub n ASN 17 Cb 0.28 -2.35 -0.07 0.00 -0.53 0.00 0.00 39.78 37.11 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2cub s MET 18 N -4.74 4.08 -0.09 1.20 -1.94 -0.67 -4.80 119.30 112.32 2cub s MET 18 Ca 0.07 0.43 -0.30 0.00 -1.71 0.00 0.00 55.69 54.19 2cub s MET 18 Cb -0.03 -3.66 -0.04 0.00 2.01 0.00 0.00 34.83 33.11 2cub s MET 18 CO 0.08 -0.40 1.52 -1.25 -0.01 0.00 0.00 175.02 174.97 2cub s PRO 19 N 2.43 4.20 0.36 2.03 0.04 -1.26 0.12 135.00 142.92 2cub s PRO 19 Ca 0.24 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.37 2cub s PRO 19 Cb -0.16 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 2cub s PRO 19 CO 0.09 -0.80 0.26 0.00 0.04 0.00 0.00 177.00 176.60 2cub s ALA 20 N 3.85 3.78 -0.20 8.56 0.00 0.13 -2.11 121.76 135.77 2cub s ALA 20 Ca 0.67 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.85 2cub s ALA 20 Cb -0.29 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 21.90 2cub s ALA 20 CO 0.25 -0.05 -0.16 -0.47 0.00 0.00 0.00 175.76 175.33 2cub s TYR 21 N -2.40 2.75 -0.57 0.00 5.04 0.12 -0.62 117.35 121.68 2cub s TYR 21 Ca 0.42 -1.74 -0.26 0.00 -2.44 0.00 0.00 57.07 53.05 2cub s TYR 21 Cb -0.04 -1.83 -0.04 0.00 0.35 0.00 0.00 41.96 40.40 2cub s TYR 21 CO 0.25 -0.80 2.07 0.08 -1.34 0.00 0.00 175.55 175.82 2cub s VAL 22 N 1.29 3.22 0.14 3.14 1.01 -0.69 -0.63 120.40 127.87 2cub s VAL 22 Ca 0.01 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2cub s VAL 22 Cb -0.15 -3.58 -0.14 0.00 0.00 0.00 0.00 36.38 32.50 2cub s VAL 22 CO -0.10 -0.56 1.35 0.11 0.00 0.00 0.00 175.10 175.90 2cub h LYS 23 N 16.78 0.56 -5.65 2.72 1.57 0.41 -1.37 116.57 131.59 2cub h LYS 23 Ca -0.25 -0.49 -0.52 0.00 -1.87 0.00 0.00 60.65 57.52 2cub h LYS 23 Cb 1.20 0.11 -0.27 0.00 0.08 0.00 0.00 32.23 33.35 2cub h LYS 23 CO 1.20 1.12 -0.82 -0.06 -0.57 0.00 0.00 179.45 180.31 2cub s PHE 24 N -3.59 1.51 -0.02 -1.35 0.08 -0.63 -4.65 117.98 109.33 2cub s PHE 24 Ca -0.08 -0.32 -0.30 0.00 0.12 0.00 0.00 56.93 56.35 2cub s PHE 24 Cb 0.09 -0.93 -0.05 0.00 -0.57 0.00 0.00 43.02 41.56 2cub s PHE 24 CO 0.87 0.02 1.47 0.54 -0.10 0.00 0.00 175.22 178.03 2cub s ASN 25 N -0.80 6.79 -0.06 1.36 2.20 -1.26 -4.21 114.94 118.95 2cub s ASN 25 Ca 0.05 2.14 0.04 0.00 -0.94 0.00 0.00 52.86 54.16 2cub s ASN 25 Cb -0.07 -2.55 -0.02 0.00 -2.00 0.00 0.00 41.25 36.60 2cub s ASN 25 CO 0.01 -0.79 -0.19 -0.47 -2.94 0.00 0.00 177.10 172.72 2cub s TYR 26 N 2.87 2.60 -0.17 1.54 6.14 0.22 -4.89 117.35 125.66 2cub s TYR 26 Ca 0.66 -0.46 -0.05 0.00 0.64 0.00 0.00 57.07 57.85 2cub s TYR 26 Cb -0.32 -1.65 -0.03 0.00 0.42 0.00 0.00 41.96 40.38 2cub s TYR 26 CO 0.27 -0.04 0.01 1.41 0.64 0.00 0.00 175.55 177.83 2cub s MET 27 N -0.33 3.79 0.18 4.97 -2.45 -1.26 0.53 119.30 124.73 2cub s MET 27 Ca 0.02 -0.45 -0.11 0.00 -1.25 0.00 0.00 55.69 53.90 2cub s MET 27 Cb -0.13 -3.06 -0.07 0.00 1.25 0.00 0.00 34.83 32.82 2cub s MET 27 CO 0.02 0.22 0.53 0.00 1.05 0.00 0.00 175.02 176.84 2cub s ALA 28 N 0.47 3.59 -0.03 4.11 0.00 -1.26 -4.92 121.76 123.72 2cub s ALA 28 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2cub s ALA 28 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 2cub s ALA 28 CO 0.02 0.50 0.02 0.39 0.00 0.00 0.00 175.76 176.68 2cub n GLU 29 N 0.31 3.03 -4.33 0.00 1.02 -1.26 -4.95 120.64 114.47 2cub n GLU 29 Ca -0.02 -0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.81 2cub n GLU 29 Cb 0.52 -1.08 -0.11 0.00 -0.02 0.00 0.00 31.44 30.76 2cub n GLU 29 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2cub s ARG 30 N -2.09 1.98 0.38 3.49 0.52 -1.26 -5.01 118.95 116.95 2cub s ARG 30 Ca -0.01 -1.08 0.15 0.00 -0.52 0.00 0.00 55.73 54.27 2cub s ARG 30 Cb 0.01 -2.21 1.00 0.00 0.52 0.00 0.00 34.95 34.27 2cub s ARG 30 CO 0.12 0.50 1.81 1.49 0.02 0.00 0.00 175.30 179.24 2cub h GLU 31 N 3.82 0.48 0.00 3.54 4.22 -2.00 0.55 114.58 125.19 2cub h GLU 31 Ca -0.49 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 58.87 2cub h GLU 31 Cb 1.17 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2cub h GLU 31 CO 0.49 0.32 -0.23 0.22 -2.18 0.00 0.00 179.01 177.63 2cub h ASP 32 N 0.50 0.00 -3.92 1.04 3.58 -1.95 -3.44 116.42 112.22 2cub h ASP 32 Ca 0.54 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 57.50 2cub h ASP 32 Cb 1.21 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.28 2cub h ASP 32 CO -0.27 0.23 0.24 -1.61 -2.88 0.00 0.00 179.24 174.95 2cub s GLU 33 N -4.26 3.81 0.01 0.28 2.02 0.19 0.24 118.70 120.99 2cub s GLU 33 Ca -0.03 0.65 0.08 0.00 0.02 0.00 0.00 54.97 55.69 2cub s GLU 33 Cb 0.14 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 2cub s GLU 33 CO 0.66 -0.18 -0.25 -1.17 0.02 0.00 0.00 175.26 174.35 2cub s LEU 34 N -4.09 2.10 -0.07 1.80 2.96 0.12 -4.28 118.68 117.22 2cub s LEU 34 Ca 0.54 -0.50 -0.22 0.00 -0.22 0.00 0.00 54.13 53.73 2cub s LEU 34 Cb -0.10 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 2cub s LEU 34 CO 0.34 0.27 0.64 -0.55 -1.32 0.00 0.00 176.35 175.74 2cub s SER 35 N -0.85 6.93 0.08 3.68 0.15 -1.26 -4.31 113.70 118.12 2cub s SER 35 Ca 0.10 1.11 0.07 0.00 0.70 0.00 0.00 55.95 57.93 2cub s SER 35 Cb -0.10 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2cub s SER 35 CO 0.00 -0.06 -0.13 -0.76 1.20 0.00 0.00 173.24 173.49 2cub s LEU 36 N 0.60 2.88 -0.12 3.45 1.43 0.19 -4.93 118.68 122.18 2cub s LEU 36 Ca 0.34 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2cub s LEU 36 Cb -0.17 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2cub s LEU 36 CO 0.16 0.21 -0.17 -0.63 0.23 0.00 0.00 176.35 176.15 2cub s ILE 37 N -1.10 1.65 -0.27 -0.59 1.01 -1.26 0.73 121.20 121.37 2cub s ILE 37 Ca 0.18 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 2cub s ILE 37 Cb -0.11 -1.49 -0.07 0.00 0.01 0.00 0.00 42.46 40.80 2cub s ILE 37 CO 0.10 0.47 2.23 1.17 0.00 0.00 0.00 174.94 178.91 2cub n LYS 38 N 4.19 1.70 0.00 2.79 4.81 -1.26 -2.03 118.16 128.36 2cub n LYS 38 Ca -0.19 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 2cub n LYS 38 Cb 0.51 -3.07 0.00 0.00 0.02 0.00 0.00 35.03 32.49 2cub n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cub n GLY 39 N 5.97 1.76 2.31 3.14 0.00 -0.52 -4.90 105.19 112.95 2cub n GLY 39 Ca 0.33 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.16 2cub n GLY 39 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cub n THR 40 N -0.50 0.00 -4.22 2.61 -2.24 -0.86 -5.00 114.28 104.06 2cub n THR 40 Ca 0.00 -1.59 -0.18 0.00 -2.27 0.00 0.00 64.05 60.00 2cub n THR 40 Cb 0.00 0.47 -0.15 0.00 -2.10 0.00 0.00 70.33 68.55 2cub n THR 40 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2cub s LYS 41 N -3.11 0.68 0.45 -0.78 2.20 -1.26 -1.70 119.74 116.22 2cub s LYS 41 Ca 0.08 -0.19 0.04 0.00 -0.36 0.00 0.00 55.97 55.54 2cub s LYS 41 Cb 0.00 -0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 35.61 2cub s LYS 41 CO 0.06 0.05 0.02 0.14 -0.36 0.00 0.00 175.35 175.26 2cub s VAL 42 N 0.31 1.39 -0.29 4.02 -7.23 0.21 -4.92 120.40 113.89 2cub s VAL 42 Ca -0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 2cub s VAL 42 Cb -0.08 -2.51 0.08 0.00 0.56 0.00 0.00 36.38 34.43 2cub s VAL 42 CO -0.00 0.00 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.12 2cub s ILE 43 N -2.89 2.23 -0.06 -0.62 -1.09 -0.94 0.22 121.20 118.05 2cub s ILE 43 Ca 0.20 -1.93 -0.30 0.00 -2.23 0.00 0.00 60.65 56.39 2cub s ILE 43 Cb 0.05 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 2cub s ILE 43 CO 0.10 -0.27 1.45 -0.69 -1.23 0.00 0.00 174.94 174.30 2cub s VAL 44 N 1.02 3.82 -0.13 2.92 1.01 0.12 -0.41 120.40 128.74 2cub s VAL 44 Ca -0.01 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.12 2cub s VAL 44 Cb -0.20 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.36 2cub s VAL 44 CO -0.06 -0.06 -0.03 0.23 0.00 0.00 0.00 175.10 175.18 2cub n MET 45 N 6.26 1.41 -4.11 2.72 2.81 0.90 -0.43 117.12 126.68 2cub n MET 45 Ca 0.15 0.03 -0.08 0.00 -1.81 0.00 0.00 57.70 55.99 2cub n MET 45 Cb 0.44 -1.29 -0.10 0.00 -0.71 0.00 0.00 33.22 31.55 2cub n MET 45 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2cub s GLU 46 N -2.28 0.68 -0.07 0.03 2.02 -0.43 0.10 118.70 118.74 2cub s GLU 46 Ca -0.11 -1.25 -0.03 0.00 0.02 0.00 0.00 54.97 53.59 2cub s GLU 46 Cb 0.04 0.10 0.04 0.00 0.10 0.00 0.00 34.13 34.42 2cub s GLU 46 CO 0.42 -0.09 0.13 0.15 0.02 0.00 0.00 175.26 175.88 2cub s LYS 47 N -3.90 -0.00 -0.34 1.61 1.02 -0.83 -1.49 119.74 115.80 2cub s LYS 47 Ca 0.09 0.49 -0.20 0.00 0.02 0.00 0.00 55.97 56.37 2cub s LYS 47 Cb 0.07 -0.35 -0.00 0.00 -0.52 0.00 0.00 37.83 37.04 2cub s LYS 47 CO -0.08 -0.31 0.61 0.00 -0.92 0.00 0.00 175.35 174.64 2cub n SER 49 N 5.93 -0.05 -0.27 0.00 2.88 -1.26 0.12 113.62 120.97 2cub n SER 49 Ca -0.02 1.22 0.01 0.00 -1.33 0.00 0.00 58.87 58.76 2cub n SER 49 Cb 0.49 -0.46 0.08 0.00 -0.75 0.00 0.00 64.21 63.57 2cub n SER 49 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2cub h ASP 50 N 0.00 -0.81 0.00 -3.46 3.58 -2.05 -3.45 116.42 110.23 2cub h ASP 50 Ca 0.46 0.24 0.00 0.00 0.42 0.00 0.00 57.03 58.15 2cub h ASP 50 Cb 0.98 0.51 0.00 0.00 1.72 0.00 0.00 39.33 42.54 2cub h ASP 50 CO -0.67 -0.27 0.00 0.61 -2.88 0.00 0.00 179.24 176.04 2cub n GLY 51 N -1.51 0.74 3.74 -0.78 0.00 0.33 -5.13 105.19 102.59 2cub n GLY 51 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2cub n GLY 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cub s TRP 52 N 0.00 3.29 0.38 1.61 0.52 -1.23 -3.61 118.94 119.90 2cub s TRP 52 Ca 0.00 1.34 0.08 0.00 0.02 0.00 0.00 56.10 57.54 2cub s TRP 52 Cb 0.00 -3.55 -0.05 0.00 -1.15 0.00 0.00 33.47 28.72 2cub s TRP 52 CO 0.00 -1.61 0.15 -1.58 0.02 0.00 0.00 176.95 173.94 2cub s TRP 53 N -0.24 2.63 -0.20 -1.98 0.52 0.86 -0.72 118.94 119.80 2cub s TRP 53 Ca 0.53 -0.50 -0.03 0.00 0.02 0.00 0.00 56.10 56.12 2cub s TRP 53 Cb -0.36 -1.81 0.07 0.00 -1.15 0.00 0.00 33.47 30.22 2cub s TRP 53 CO 0.40 0.26 0.06 0.50 0.02 0.00 0.00 176.95 178.20 2cub s ARG 54 N -3.87 0.46 0.12 4.98 3.52 -0.56 0.30 118.95 123.91 2cub s ARG 54 Ca 0.39 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.62 2cub s ARG 54 Cb 0.01 -1.96 -0.00 0.00 -1.56 0.00 0.00 34.95 31.44 2cub s ARG 54 CO 0.22 -0.70 0.04 0.41 -0.81 0.00 0.00 175.30 174.46 2cub n GLY 55 N 5.11 3.87 3.57 8.12 0.00 -1.12 -0.07 105.19 124.68 2cub n GLY 55 Ca -0.08 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.70 2cub n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cub s SER 56 N -1.72 4.23 -0.30 1.61 1.04 0.45 -2.42 113.70 116.58 2cub s SER 56 Ca 0.06 -0.65 -0.06 0.00 0.48 0.00 0.00 55.95 55.77 2cub s SER 56 Cb 0.00 -0.69 0.16 0.00 0.10 0.00 0.00 66.02 65.59 2cub s SER 56 CO 0.04 0.07 0.64 -0.47 0.98 0.00 0.00 173.24 174.50 2cub s TYR 57 N -1.95 -1.44 -1.09 5.02 5.04 -0.91 -2.21 117.35 119.81 2cub s TYR 57 Ca 0.27 1.98 0.00 0.00 -2.44 0.00 0.00 57.07 56.88 2cub s TYR 57 Cb -0.08 0.67 0.00 0.00 0.35 0.00 0.00 41.96 42.91 2cub s TYR 57 CO 0.16 -0.75 0.00 -1.71 -1.34 0.00 0.00 175.55 171.91 2cub n ASN 58 N 5.43 -3.99 0.00 4.32 2.85 -1.26 -2.36 115.26 120.24 2cub n ASN 58 Ca -0.07 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2cub n ASN 58 Cb 0.50 -3.18 0.00 0.00 1.24 0.00 0.00 39.78 38.34 2cub n ASN 58 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2cub n GLY 59 N -1.02 0.48 3.79 8.20 0.00 -1.26 -5.05 105.19 110.33 2cub n GLY 59 Ca -0.15 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 2cub n GLY 59 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2cub s GLN 60 N -1.46 2.20 -0.11 1.61 -2.07 -1.00 -5.15 119.66 113.69 2cub s GLN 60 Ca 0.00 -2.18 -0.08 0.00 -1.82 0.00 0.00 55.36 51.28 2cub s GLN 60 Cb 0.00 -1.78 0.04 0.00 -1.09 0.00 0.00 33.01 30.18 2cub s GLN 60 CO 0.00 -0.38 0.28 0.08 -1.32 0.00 0.00 175.29 173.95 2cub s VAL 61 N -2.79 -0.02 0.00 3.63 1.01 -1.26 -2.13 120.40 118.84 2cub s VAL 61 Ca 0.22 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2cub s VAL 61 Cb 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.98 2cub s VAL 61 CO 0.13 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2cub n GLY 62 N 3.55 2.03 3.27 4.51 0.00 -1.02 -4.88 105.19 112.66 2cub n GLY 62 Ca -0.19 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 2cub n GLY 62 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cub s TRP 63 N -4.28 2.73 0.03 1.61 0.52 0.66 -2.78 118.94 117.43 2cub s TRP 63 Ca 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 56.10 55.16 2cub s TRP 63 Cb 0.00 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 2cub s TRP 63 CO 0.00 -0.40 -0.03 -0.59 0.02 0.00 0.00 176.95 175.94 2cub s PHE 64 N 0.58 0.36 -0.22 -1.98 -0.12 0.15 -0.70 117.98 116.05 2cub s PHE 64 Ca -0.10 -0.65 -0.29 0.00 -0.05 0.00 0.00 56.93 55.84 2cub s PHE 64 Cb -0.16 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 41.95 2cub s PHE 64 CO 0.03 -0.22 1.61 -1.25 -0.05 0.00 0.00 175.22 175.34 2cub s PRO 65 N -2.04 3.80 0.39 1.99 0.04 -1.26 -0.10 135.00 137.82 2cub s PRO 65 Ca -0.10 1.65 0.10 0.00 0.04 0.00 0.00 61.00 62.69 2cub s PRO 65 Cb -0.06 -4.03 0.88 0.00 0.04 0.00 0.00 34.50 31.33 2cub s PRO 65 CO -0.03 -1.29 1.95 0.66 0.04 0.00 0.00 177.00 178.32 2cub h SER 66 N 10.71 0.53 -0.11 6.66 4.64 -1.90 0.00 113.55 134.09 2cub h SER 66 Ca -0.34 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.03 2cub h SER 66 Cb 1.15 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2cub h SER 66 CO 1.00 0.32 0.45 0.78 -0.87 0.00 0.00 176.83 178.51 2cub h ASN 67 N 0.59 0.00 0.95 4.97 4.21 -1.90 0.82 115.58 125.22 2cub h ASN 67 Ca 0.33 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.70 2cub h ASN 67 Cb 0.49 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.67 2cub h ASN 67 CO -0.11 0.00 -1.12 1.88 -1.29 0.00 0.00 177.43 176.78 2cub h TYR 68 N 0.00 0.00 -1.43 1.19 -1.99 -1.34 -3.47 116.97 109.93 2cub h TYR 68 Ca 0.05 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.24 2cub h TYR 68 Cb 0.95 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.62 2cub h TYR 68 CO 0.00 0.53 -0.43 0.14 -0.00 0.00 0.00 178.16 178.40 2cub s VAL 69 N -2.96 2.35 -0.04 -2.88 -7.23 0.28 0.11 120.40 110.03 2cub s VAL 69 Ca -0.01 -1.54 -0.03 0.00 -1.81 0.00 0.00 61.98 58.60 2cub s VAL 69 Cb 0.08 -2.89 0.02 0.00 0.56 0.00 0.00 36.38 34.16 2cub s VAL 69 CO 0.79 0.00 0.10 0.28 -0.31 0.00 0.00 175.10 175.96 2cub s THR 70 N -2.57 -0.03 -0.47 5.32 -1.32 0.20 -4.81 115.64 111.96 2cub s THR 70 Ca 0.43 0.10 -0.26 0.00 -1.21 0.00 0.00 61.69 60.74 2cub s THR 70 Cb 0.00 -0.17 -0.07 0.00 -1.51 0.00 0.00 72.50 70.76 2cub s THR 70 CO 0.24 0.04 2.39 -1.61 -2.21 0.00 0.00 174.62 173.47 2cub s GLU 71 N 0.61 2.18 -0.54 7.08 2.02 -1.26 0.12 118.70 128.91 2cub s GLU 71 Ca -0.05 1.45 -0.18 0.00 0.02 0.00 0.00 54.97 56.21 2cub s GLU 71 Cb -0.06 -4.57 0.09 0.00 0.10 0.00 0.00 34.13 29.69 2cub s GLU 71 CO -0.03 -3.19 0.60 -2.00 0.02 0.00 0.00 175.26 170.67 2cub s GLU 72 N 8.10 3.04 -0.34 1.61 2.56 -0.90 -4.94 118.70 127.84 2cub s GLU 72 Ca 0.97 -1.29 -0.02 0.00 0.00 0.00 0.00 54.97 54.63 2cub s GLU 72 Cb -0.18 -4.21 0.12 0.00 2.00 0.00 0.00 34.13 31.85 2cub s GLU 72 CO 0.27 -1.35 2.42 0.41 -0.56 0.00 0.00 175.26 176.46 2cub n GLY 73 N 5.24 4.10 4.25 -1.50 0.00 -1.26 -4.68 105.19 111.34 2cub n GLY 73 Ca -0.10 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 2cub n GLY 73 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cub n ASP 74 N 0.72 -1.86 -4.36 1.61 5.68 -1.26 -4.94 116.55 112.15 2cub n ASP 74 Ca 0.38 -1.10 -0.30 0.00 -0.50 0.00 0.00 54.79 53.27 2cub n ASP 74 Cb 0.59 -2.42 -0.14 0.00 -1.14 0.00 0.00 41.12 38.01 2cub n ASP 74 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2cub s SER 75 N -3.64 3.27 0.05 -1.12 1.04 -1.26 -5.11 113.70 106.93 2cub s SER 75 Ca 0.52 -0.56 -0.31 0.00 0.48 0.00 0.00 55.95 56.09 2cub s SER 75 Cb -0.29 -0.34 -0.07 0.00 0.10 0.00 0.00 66.02 65.42 2cub s SER 75 CO 0.95 0.26 1.41 -2.16 0.98 0.00 0.00 173.24 174.68 2cub s PRO 76 N -1.23 4.30 -0.53 4.02 0.04 -1.26 -4.95 135.00 135.38 2cub s PRO 76 Ca 0.12 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 2cub s PRO 76 Cb -0.10 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 2cub s PRO 76 CO 0.02 -0.52 1.66 -0.51 0.04 0.00 0.00 177.00 177.69 2cub s LEU 77 N 1.90 3.38 0.00 -3.56 2.01 -1.26 -4.82 118.68 116.32 2cub s LEU 77 Ca 0.65 0.51 0.00 0.00 0.01 0.00 0.00 54.13 55.30 2cub s LEU 77 Cb -0.34 -2.95 0.00 0.00 0.01 0.00 0.00 46.19 42.91 2cub s LEU 77 CO 0.28 -1.96 0.00 0.61 1.01 0.00 0.00 176.35 176.30 2cub n GLY 78 N 5.46 4.42 3.25 -3.19 0.00 -1.26 -5.07 105.19 108.80 2cub n GLY 78 Ca 0.17 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 2cub n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cub s ASP 79 N 0.00 6.42 0.21 1.61 1.11 -1.26 -4.91 116.67 119.85 2cub s ASP 79 Ca 0.00 -3.00 -0.09 0.00 0.18 0.00 0.00 52.55 49.64 2cub s ASP 79 Cb 0.00 -2.10 0.27 0.00 1.07 0.00 0.00 42.92 42.17 2cub s ASP 79 CO 0.00 -0.43 1.76 0.45 1.18 0.00 0.00 175.17 178.13 2cub h HIS 80 N 7.22 0.47 -2.61 4.23 3.86 -1.97 -3.40 115.15 122.95 2cub h HIS 80 Ca 0.10 0.03 -0.53 0.00 -1.16 0.00 0.00 60.37 58.80 2cub h HIS 80 Cb 0.97 -0.12 0.02 0.00 1.06 0.00 0.00 27.41 29.34 2cub h HIS 80 CO 0.88 0.15 1.07 0.54 0.86 0.00 0.00 177.93 181.43 2cub s VAL 81 N -6.09 3.08 -0.39 2.45 0.11 -1.26 -4.96 120.40 113.35 2cub s VAL 81 Ca -0.13 0.41 0.05 0.00 -2.93 0.00 0.00 61.98 59.38 2cub s VAL 81 Cb 0.17 -3.26 0.17 0.00 -1.53 0.00 0.00 36.38 31.92 2cub s VAL 81 CO 0.75 -0.01 0.49 -0.83 -3.33 0.00 0.00 175.10 172.16 2cub s GLY 82 N 2.93 -0.58 -0.24 6.54 0.00 -1.26 -5.13 107.32 109.59 2cub s GLY 82 Ca 0.77 -0.42 -0.07 0.00 0.00 0.00 0.00 44.72 45.00 2cub s GLY 82 CO 0.34 3.16 0.07 -0.56 0.00 0.00 0.00 173.10 176.10 2cub s SER 83 N 1.65 5.26 0.00 1.64 0.01 -1.26 -5.07 113.70 115.93 2cub s SER 83 Ca 0.16 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2cub s SER 83 Cb -0.10 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2cub s SER 83 CO -0.06 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2cub n GLY 84 N 4.63 5.61 3.77 3.44 0.00 -1.26 -5.14 105.19 116.23 2cub n GLY 84 Ca -0.16 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 2cub n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cub s PRO 85 N 1.18 3.65 0.39 1.61 0.04 -1.26 -5.05 135.00 135.56 2cub s PRO 85 Ca 0.00 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.85 2cub s PRO 85 Cb 0.00 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2cub s PRO 85 CO 0.00 -0.63 0.53 0.45 0.04 0.00 0.00 177.00 177.39 2cub s SER 86 N -1.47 5.76 -0.89 6.66 0.15 -1.26 -5.06 113.70 117.60 2cub s SER 86 Ca 0.66 -0.34 -0.14 0.00 0.70 0.00 0.00 55.95 56.82 2cub s SER 86 Cb -0.27 -0.85 0.21 0.00 -1.71 0.00 0.00 66.02 63.39 2cub s SER 86 CO 0.33 -0.65 0.89 -0.55 1.20 0.00 0.00 173.24 174.46 2cub s SER 87 N -4.29 6.81 0.00 5.45 0.15 -1.26 -5.36 113.70 115.21 2cub s SER 87 Ca 0.52 -2.69 0.00 0.00 0.70 0.00 0.00 55.95 54.47 2cub s SER 87 Cb -0.10 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2cub s SER 87 CO 0.32 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.74